Geometry & MOs

Info

ID:	277510
PubChem CID:	103829111
Reduced:	BrN3O3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	279.114044
ΔH_f, kcal/mol:	0.22
Dipole, Da:	4.41
IP(EA), eV:	-10.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-propylsulfonylethyl)morpholine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C#N)NC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations